Geometry & MOs

Info

ID:	246969
PubChem CID:	103065864
Reduced:	ClSN2O3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	229.123342
ΔH_f, kcal/mol:	-70.97
Dipole, Da:	5.66
IP(EA), eV:	-10.37(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C=C(CN1C(=O)C2=C(S1(=O)=O)N=CC=C2)CCl

DOS

IR

Vibrations